2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide

C14H14N2O3 — CID 25237193

IUPAC2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide
SMILESCCOc1ccccc1C(=O)N/N=C/c1ccoc1
InChIInChI=1S/C14H14N2O3/c1-2-19-13-6-4-3-5-12(13)14(17)16-15-9-11-7-8-18-10-11/h3-10H,2H2,1H3,(H,16,17)/b15-9+
InChIKeyRFJZBDUNKVTJIS-OQLLNIDSSA-N
MW258.28 g/mol
LogP2.44
Rot. Bonds5

About 2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide

2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide (PubChem CID 25237193) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide
PubChem CID25237193
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide
SMILESCCOc1ccccc1C(=O)N/N=C/c1ccoc1
InChIInChI=1S/C14H14N2O3/c1-2-19-13-6-4-3-5-12(13)14(17)16-15-9-11-7-8-18-10-11/h3-10H,2H2,1H3,(H,16,17)/b15-9+
InChIKeyRFJZBDUNKVTJIS-OQLLNIDSSA-N
XLogP2.44
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide?
The IUPAC name of 2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide (CID 25237193) is 2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide?
The canonical SMILES for 2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide is CCOc1ccccc1C(=O)N/N=C/c1ccoc1.
What is the InChIKey of 2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide?
The InChIKey is RFJZBDUNKVTJIS-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-19-13-6-4-3-5-12(13)14(17)16-15-9-11-7-8-18-10-11/h3-10H,2H2,1H3,(H,16,17)/b15-9+.
What are the key properties of 2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide?
2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide has a molecular weight of 258.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(E)-furan-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 25237193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).